smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1cccn2c1nc1c(cc(C(=O)NCCN3CCOCC3)c(=N)n1CCC[NH+]1CCOCC1)c2=O	ZINC000015894592	553540104	/nfs/dbraw/zinc/54/01/04/553540104.db2.gz	OGSLNTFMYHJYMI-UHFFFAOYSA-N	1	1	509.611	0.221	50	5		KCBAMO
Cc1ccc2nc3c(cc(C(=O)NCCN4CCOCC4)c(=N)n3CCC[NH+]3CCOCC3)c(=O)n2c1	ZINC000015952804	553545724	/nfs/dbraw/zinc/54/57/24/553545724.db2.gz	MDSHDXOSLHVHKR-UHFFFAOYSA-N	1	1	509.611	0.221	50	5		KCBAMO
CC(C)NC(=O)CN1CCN2c3ccc([N+](=O)[O-])cc3C[C@H](C(=O)NCCC[NH+]3CCOCC3)[C@@H]2C1	ZINC000035894652	554091723	/nfs/dbraw/zinc/09/17/23/554091723.db2.gz	UEQPZERYXCGKJV-GMAHTHKFSA-N	1	1	502.616	0.621	50	5		KCBAMO
O=C(CN1CCN2c3ccc([N+](=O)[O-])cc3C[C@H](C(=O)NCCC[NH+]3CCOCC3)[C@H]2C1)N1CCCC1	ZINC000096457222	553754578	/nfs/dbraw/zinc/75/45/78/553754578.db2.gz	OPIBDBOQBBDTIV-LADGPHEKSA-N	1	1	514.627	0.719	50	5		KCBAMO
O=C(CN1CCN2c3ccc([N+](=O)[O-])cc3C[C@@H](C(=O)NCCC[NH+]3CCOCC3)[C@H]2C1)N1CCCC1	ZINC000096457223	553754574	/nfs/dbraw/zinc/75/45/74/553754574.db2.gz	OPIBDBOQBBDTIV-ISKFKSNPSA-N	1	1	514.627	0.719	50	5		KCBAMO
O=C(CN1CCN2c3ccc([N+](=O)[O-])cc3C[C@H](C(=O)NCCC[NH+]3CCOCC3)[C@@H]2C1)N1CCCC1	ZINC000096457224	553754538	/nfs/dbraw/zinc/75/45/38/553754538.db2.gz	OPIBDBOQBBDTIV-UPVQGACJSA-N	1	1	514.627	0.719	50	5		KCBAMO
O=C(CN1CCN2c3ccc([N+](=O)[O-])cc3C[C@@H](C(=O)NCCC[NH+]3CCOCC3)[C@@H]2C1)N1CCCC1	ZINC000096457225	553754507	/nfs/dbraw/zinc/75/45/07/553754507.db2.gz	OPIBDBOQBBDTIV-VWNXMTODSA-N	1	1	514.627	0.719	50	5		KCBAMO
CC(C)NC(=O)CN1CCN2c3ccc([N+](=O)[O-])cc3C[C@@H](C(=O)NCCC[NH+]3CCOCC3)[C@@H]2C1	ZINC000104920203	571387796	/nfs/dbraw/zinc/38/77/96/571387796.db2.gz	UEQPZERYXCGKJV-GGAORHGYSA-N	1	1	502.616	0.621	50	5		KCBAMO
CC(C)NC(=O)CN1CCN2c3ccc([N+](=O)[O-])cc3C[C@@H](C(=O)NCCC[NH+]3CCOCC3)[C@H]2C1	ZINC000253376522	572282372	/nfs/dbraw/zinc/28/23/72/572282372.db2.gz	UEQPZERYXCGKJV-FYYLOGMGSA-N	1	1	502.616	0.621	50	5		KCBAMO
CC(C)NC(=O)CN1CCN2c3ccc([N+](=O)[O-])cc3C[C@H](C(=O)NCCC[NH+]3CCOCC3)[C@H]2C1	ZINC000253376523	572282318	/nfs/dbraw/zinc/28/23/18/572282318.db2.gz	UEQPZERYXCGKJV-JTHBVZDNSA-N	1	1	502.616	0.621	50	5		KCBAMO